N-(4-methoxyphenyl)-2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H18N4O3S/c1-24-19(26)18-17(14-5-3-4-6-15(14)22-18)23-20(24)28-11-16(25)21-12-7-9-13(27-2)10-8-12/h3-10,22H,11H2,1-2H3,(H,21,25)